In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 31st, 2006 | 20 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.67 | 10.36 | -38.45 | 1 | 2 | 1 | 17 | 287.814 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 10.65 | -106.65 | 2 | 2 | 2 | 19 | 288.822 | 3 | ↓ |